#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv9 h SER 2 N 0.00 0.22 0.00 -2.24 4.64 -1.98 -3.47 113.55 110.71 3mv9 h SER 2 Ca 0.00 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3mv9 h SER 2 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3mv9 h SER 2 CO 0.00 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 3mv9 n GLY 3 N 0.24 1.97 3.74 -0.77 0.00 -1.26 -5.01 105.19 104.11 3mv9 n GLY 3 Ca -0.07 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3mv9 n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mv9 s VAL 4 N 0.00 2.25 -0.23 1.61 1.01 -1.26 -4.00 120.40 119.79 3mv9 s VAL 4 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 3mv9 s VAL 4 Cb 0.00 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.37 3mv9 s VAL 4 CO 0.00 -0.02 -0.02 -0.89 0.00 0.00 0.00 175.10 174.17 3mv9 s THR 5 N -1.42 1.26 -0.12 3.92 2.01 0.32 -4.70 115.64 116.90 3mv9 s THR 5 Ca 0.77 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 3mv9 s THR 5 Cb -0.36 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 3mv9 s THR 5 CO 0.40 -0.17 -0.01 -1.10 -0.69 0.00 0.00 174.62 173.05 3mv9 s GLN 6 N 1.51 3.29 -0.05 4.92 -0.21 -1.26 0.08 119.66 127.94 3mv9 s GLN 6 Ca -0.04 -0.46 -0.15 0.00 0.02 0.00 0.00 55.36 54.74 3mv9 s GLN 6 Cb -0.18 -2.85 0.03 0.00 1.00 0.00 0.00 33.01 31.01 3mv9 s GLN 6 CO -0.08 0.50 0.34 0.95 -2.12 0.00 0.00 175.29 174.89 3mv9 s THR 7 N -0.33 0.04 0.38 -0.19 -4.23 -1.25 -4.45 115.64 105.62 3mv9 s THR 7 Ca 0.06 -0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.14 3mv9 s THR 7 Cb -0.12 -0.61 -0.07 0.00 1.34 0.00 0.00 72.50 73.04 3mv9 s THR 7 CO 0.02 -0.18 0.74 -2.16 -0.54 0.00 0.00 174.62 172.50 3mv9 s PRO 8 N -0.92 3.78 0.18 3.99 0.05 -1.26 0.40 135.00 141.22 3mv9 s PRO 8 Ca -0.10 0.43 -0.02 0.00 0.05 0.00 0.00 61.00 61.36 3mv9 s PRO 8 Cb -0.04 -2.43 0.07 0.00 0.05 0.00 0.00 34.50 32.15 3mv9 s PRO 8 CO 0.04 0.01 1.45 0.87 0.05 0.00 0.00 177.00 179.42 3mv9 h LYS 9 N 1.42 0.47 -4.68 4.56 1.57 -1.85 -3.42 116.57 114.64 3mv9 h LYS 9 Ca -0.47 -0.35 -0.53 0.00 -1.87 0.00 0.00 60.65 57.42 3mv9 h LYS 9 Cb 1.19 0.06 -0.33 0.00 0.08 0.00 0.00 32.23 33.23 3mv9 h LYS 9 CO 0.64 0.98 -0.82 -1.01 -0.57 0.00 0.00 179.45 178.67 3mv9 s HIS 10 N -3.75 1.58 -0.02 -1.35 3.76 -1.26 0.10 115.29 114.35 3mv9 s HIS 10 Ca -0.06 -0.58 0.03 0.00 -0.15 0.00 0.00 55.06 54.29 3mv9 s HIS 10 Cb 0.11 -1.14 -0.00 0.00 1.11 0.00 0.00 32.58 32.66 3mv9 s HIS 10 CO 0.84 -0.28 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.85 3mv9 s LEU 11 N 0.58 1.86 -0.07 0.89 1.43 -1.01 -5.00 118.68 117.36 3mv9 s LEU 11 Ca -0.14 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3mv9 s LEU 11 Cb -0.16 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.54 3mv9 s LEU 11 CO 0.04 0.09 0.00 -0.63 0.23 0.00 0.00 176.35 176.08 3mv9 s ILE 12 N 0.06 0.38 0.27 -0.59 1.01 -1.26 -1.44 121.20 119.63 3mv9 s ILE 12 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.76 3mv9 s ILE 12 Cb -0.07 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 3mv9 s ILE 12 CO 0.00 0.25 0.26 0.42 0.00 0.00 0.00 174.94 175.87 3mv9 s THR 13 N 1.97 0.00 0.29 2.92 -4.23 -0.80 -4.69 115.64 111.10 3mv9 s THR 13 Ca 0.05 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3mv9 s THR 13 Cb -0.12 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 3mv9 s THR 13 CO -0.05 0.00 0.43 0.00 -0.54 0.00 0.00 174.62 174.46 3mv9 s ALA 14 N -3.74 3.98 1.01 3.99 0.00 -1.26 -0.21 121.76 125.54 3mv9 s ALA 14 Ca 0.37 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 3mv9 s ALA 14 Cb 0.04 -1.78 0.20 0.00 0.00 0.00 0.00 23.12 21.57 3mv9 s ALA 14 CO 0.19 0.10 1.10 0.95 0.00 0.00 0.00 175.76 178.10 3mv9 s THR 15 N -2.11 2.06 -0.91 0.00 -4.23 -0.55 -2.78 115.64 107.12 3mv9 s THR 15 Ca 0.39 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 3mv9 s THR 15 Cb -0.09 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.69 3mv9 s THR 15 CO 0.31 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 3mv9 n GLY 16 N 0.44 0.82 4.00 3.99 0.00 0.12 -4.79 105.19 109.76 3mv9 n GLY 16 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3mv9 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mv9 s GLN 17 N -2.64 1.89 -0.01 1.61 -1.52 -1.12 -4.21 119.66 113.66 3mv9 s GLN 17 Ca 0.00 -1.18 0.05 0.00 -1.95 0.00 0.00 55.36 52.28 3mv9 s GLN 17 Cb 0.00 -2.41 -0.01 0.00 -0.22 0.00 0.00 33.01 30.37 3mv9 s GLN 17 CO 0.00 -1.26 -0.17 0.50 -0.25 0.00 0.00 175.29 174.11 3mv9 s ARG 18 N -5.01 1.41 0.20 2.91 3.52 -1.26 -0.49 118.95 120.24 3mv9 s ARG 18 Ca 0.64 -0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 55.61 3mv9 s ARG 18 Cb -0.06 -1.36 -0.04 0.00 -1.56 0.00 0.00 34.95 31.94 3mv9 s ARG 18 CO 0.43 0.36 0.15 0.14 -0.81 0.00 0.00 175.30 175.57 3mv9 s VAL 19 N -0.38 0.01 -0.06 7.11 -7.23 -0.94 -4.98 120.40 113.93 3mv9 s VAL 19 Ca 0.06 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.26 3mv9 s VAL 19 Cb -0.07 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 34.46 3mv9 s VAL 19 CO -0.01 -0.03 0.11 0.42 -0.31 0.00 0.00 175.10 175.29 3mv9 s THR 20 N -4.14 -0.18 -0.16 5.32 -4.23 -1.26 0.21 115.64 111.20 3mv9 s THR 20 Ca 0.37 0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 61.03 3mv9 s THR 20 Cb 0.06 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.65 3mv9 s THR 20 CO 0.11 0.16 0.65 -0.76 -0.54 0.00 0.00 174.62 174.24 3mv9 s LEU 21 N 2.13 4.20 0.91 4.79 1.43 0.47 -4.72 118.68 127.89 3mv9 s LEU 21 Ca 0.03 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 53.95 3mv9 s LEU 21 Cb -0.12 -2.95 0.17 0.00 0.03 0.00 0.00 46.19 43.32 3mv9 s LEU 21 CO -0.04 -0.23 1.26 -0.60 0.23 0.00 0.00 176.35 176.97 3mv9 s ARG 22 N 1.56 0.96 -0.30 1.70 3.52 0.16 -1.70 118.95 124.85 3mv9 s ARG 22 Ca 0.32 -0.43 -0.23 0.00 -0.13 0.00 0.00 55.73 55.26 3mv9 s ARG 22 Cb -0.16 -1.93 0.20 0.00 -1.56 0.00 0.00 34.95 31.50 3mv9 s ARG 22 CO 0.12 -2.17 1.43 0.00 -0.81 0.00 0.00 175.30 173.87 3mv9 s SER 24 N 0.28 2.62 0.80 0.00 0.01 0.11 -0.71 113.70 116.81 3mv9 s SER 24 Ca 0.04 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 56.71 3mv9 s SER 24 Cb -0.04 -1.19 0.07 0.00 0.21 0.00 0.00 66.02 65.07 3mv9 s SER 24 CO -0.15 0.05 1.09 -2.84 0.41 0.00 0.00 173.24 171.80 3mv9 s PRO 25 N 0.82 2.09 0.10 12.44 0.02 -1.26 -0.52 135.00 148.68 3mv9 s PRO 25 Ca -0.09 0.96 -0.36 0.00 0.02 0.00 0.00 61.00 61.53 3mv9 s PRO 25 Cb -0.16 -1.89 -0.17 0.00 0.02 0.00 0.00 34.50 32.30 3mv9 s PRO 25 CO 0.01 -1.70 1.25 0.54 -0.33 0.00 0.00 177.00 176.76 3mv9 n ARG 26 N -3.54 1.02 -1.65 5.54 1.74 -1.26 -4.70 116.66 113.82 3mv9 n ARG 26 Ca 0.08 0.36 -0.52 0.00 -0.77 0.00 0.00 57.85 57.01 3mv9 n ARG 26 Cb 0.54 -1.94 -0.06 0.00 -1.02 0.00 0.00 32.46 29.99 3mv9 n ARG 26 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3mv9 n SER 27 N 2.26 2.33 0.00 0.55 7.64 -1.26 -0.30 113.62 124.84 3mv9 n SER 27 Ca 0.18 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.14 3mv9 n SER 27 Cb 0.20 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3mv9 n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mv9 n GLY 28 N 3.31 1.60 3.86 0.23 0.00 -1.26 -5.05 105.19 107.88 3mv9 n GLY 28 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3mv9 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mv9 s ASP 29 N -1.71 6.71 -0.00 1.61 1.01 0.59 -5.00 116.67 119.87 3mv9 s ASP 29 Ca 0.00 0.88 0.11 0.00 0.71 0.00 0.00 52.55 54.25 3mv9 s ASP 29 Cb 0.00 -2.21 -0.13 0.00 1.01 0.00 0.00 42.92 41.59 3mv9 s ASP 29 CO 0.00 0.18 0.41 0.18 0.21 0.00 0.00 175.17 176.15 3mv9 n LEU 30 N 1.03 0.41 -5.00 1.23 4.77 -1.26 -4.75 117.00 113.42 3mv9 n LEU 30 Ca -0.08 -0.41 -0.19 0.00 -0.03 0.00 0.00 56.01 55.30 3mv9 n LEU 30 Cb 0.52 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3mv9 n LEU 30 CO 0.42 0.10 0.29 -0.94 -1.33 0.00 0.00 177.39 175.93 3mv9 s SER 31 N -2.24 5.30 -0.25 -1.43 1.04 -1.26 -4.18 113.70 110.68 3mv9 s SER 31 Ca 0.03 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 3mv9 s SER 31 Cb 0.08 -0.45 0.13 0.00 0.10 0.00 0.00 66.02 65.88 3mv9 s SER 31 CO 0.44 -1.10 0.49 -0.69 0.98 0.00 0.00 173.24 173.35 3mv9 s VAL 39 N -2.61 -0.77 -0.27 5.02 1.01 -1.05 -4.37 120.40 117.35 3mv9 s VAL 39 Ca 0.58 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 3mv9 s VAL 39 Cb -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.47 3mv9 s VAL 39 CO 0.37 -0.02 0.01 -0.31 0.00 0.00 0.00 175.10 175.15 3mv9 s TYR 40 N 2.70 3.11 -0.02 5.22 2.02 0.14 -2.11 117.35 128.41 3mv9 s TYR 40 Ca 0.07 -1.24 -0.19 0.00 -0.37 0.00 0.00 57.07 55.34 3mv9 s TYR 40 Cb -0.14 -2.16 -0.05 0.00 -0.40 0.00 0.00 41.96 39.21 3mv9 s TYR 40 CO -0.17 -0.64 0.54 -1.58 -1.57 0.00 0.00 175.55 172.13 3mv9 s TRP 41 N 1.42 3.67 0.09 2.71 0.52 -0.75 -0.60 118.94 125.99 3mv9 s TRP 41 Ca 0.01 1.11 0.05 0.00 0.02 0.00 0.00 56.10 57.29 3mv9 s TRP 41 Cb -0.17 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 3mv9 s TRP 41 CO -0.01 0.38 -0.13 0.71 0.02 0.00 0.00 176.95 177.92 3mv9 s TYR 42 N -0.24 1.19 -0.07 -1.98 1.51 0.09 -1.34 117.35 116.51 3mv9 s TYR 42 Ca 0.29 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 3mv9 s TYR 42 Cb -0.17 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 3mv9 s TYR 42 CO 0.15 0.06 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.42 3mv9 s GLN 43 N -2.18 1.42 -0.18 -0.62 0.74 -1.11 -0.69 119.66 117.05 3mv9 s GLN 43 Ca 0.02 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.15 3mv9 s GLN 43 Cb -0.07 -1.29 0.03 0.00 1.10 0.00 0.00 33.01 32.78 3mv9 s GLN 43 CO 0.02 -0.07 -0.14 -1.14 -0.55 0.00 0.00 175.29 173.40 3mv9 s GLN 44 N 0.98 2.40 -1.31 1.67 0.74 0.31 -1.43 119.66 123.01 3mv9 s GLN 44 Ca -0.09 -0.78 -0.09 0.00 0.05 0.00 0.00 55.36 54.45 3mv9 s GLN 44 Cb -0.15 -2.38 0.14 0.00 1.10 0.00 0.00 33.01 31.72 3mv9 s GLN 44 CO 0.00 -0.31 2.04 0.43 -0.55 0.00 0.00 175.29 176.90 3mv9 n SER 45 N 4.68 5.71 0.00 6.67 7.64 -1.26 -1.67 113.62 135.40 3mv9 n SER 45 Ca -0.17 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.63 3mv9 n SER 45 Cb 0.48 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 3mv9 n SER 45 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3mv9 n LEU 46 N 3.57 0.00 -2.43 -3.43 4.77 -1.26 -2.79 117.00 115.43 3mv9 n LEU 46 Ca 0.46 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 56.15 3mv9 n LEU 46 Cb 0.34 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3mv9 n LEU 46 CO 0.80 0.00 0.54 0.47 -1.33 0.00 0.00 177.39 177.88 3mv9 n ASP 47 N 2.55 5.54 -4.01 -1.43 9.92 -1.26 -4.98 116.55 122.89 3mv9 n ASP 47 Ca 0.00 -3.76 -0.26 0.00 -0.53 0.00 0.00 54.79 50.24 3mv9 n ASP 47 Cb 0.00 -0.59 -0.08 0.00 -0.64 0.00 0.00 41.12 39.82 3mv9 n ASP 47 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3mv9 s GLN 48 N -3.68 1.98 0.89 -1.24 -1.52 -1.12 -5.17 119.66 109.80 3mv9 s GLN 48 Ca 0.51 -2.22 -0.10 0.00 -1.95 0.00 0.00 55.36 51.60 3mv9 s GLN 48 Cb 0.42 -0.53 0.19 0.00 -0.22 0.00 0.00 33.01 32.88 3mv9 s GLN 48 CO -0.16 -0.54 1.22 0.20 -0.25 0.00 0.00 175.29 175.77 3mv9 s GLY 49 N -3.62 1.79 -0.34 3.09 0.00 -1.26 -4.30 107.32 102.68 3mv9 s GLY 49 Ca 0.23 -1.52 -0.23 0.00 0.00 0.00 0.00 44.72 43.20 3mv9 s GLY 49 CO 0.16 -0.78 0.77 1.08 0.00 0.00 0.00 173.10 174.33 3mv9 s LEU 50 N -5.65 4.12 -0.19 0.66 2.01 -1.26 -4.03 118.68 114.34 3mv9 s LEU 50 Ca 0.73 0.44 -0.05 0.00 0.01 0.00 0.00 54.13 55.26 3mv9 s LEU 50 Cb -0.03 -3.02 -0.03 0.00 0.01 0.00 0.00 46.19 43.12 3mv9 s LEU 50 CO 0.50 -0.67 0.01 -1.10 1.01 0.00 0.00 176.35 176.10 3mv9 s GLN 51 N 3.01 3.71 0.14 1.70 -1.52 -0.52 -4.97 119.66 121.22 3mv9 s GLN 51 Ca 0.31 -0.48 -0.31 0.00 -1.95 0.00 0.00 55.36 52.93 3mv9 s GLN 51 Cb -0.14 -3.09 -0.10 0.00 -0.22 0.00 0.00 33.01 29.46 3mv9 s GLN 51 CO 0.15 0.10 1.66 0.12 -0.25 0.00 0.00 175.29 177.08 3mv9 s PHE 52 N 0.78 2.70 0.00 0.91 2.19 -1.26 -2.73 117.98 120.56 3mv9 s PHE 52 Ca 0.01 0.38 0.00 0.00 0.33 0.00 0.00 56.93 57.65 3mv9 s PHE 52 Cb -0.14 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.55 3mv9 s PHE 52 CO 0.02 -3.95 0.00 1.28 1.83 0.00 0.00 175.22 174.40 3mv9 n LEU 53 N 4.72 0.55 -4.00 6.12 4.77 -0.45 -1.74 117.00 126.97 3mv9 n LEU 53 Ca 0.15 0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 3mv9 n LEU 53 Cb 0.38 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 3mv9 n LEU 53 CO 0.63 -0.17 0.15 -0.51 -1.33 0.00 0.00 177.39 176.16 3mv9 s ILE 54 N -0.34 0.00 -0.20 -0.08 2.07 -1.22 0.14 121.20 121.58 3mv9 s ILE 54 Ca 0.00 -1.43 -0.18 0.00 -1.41 0.00 0.00 60.65 57.63 3mv9 s ILE 54 Cb 0.00 -2.20 0.05 0.00 0.13 0.00 0.00 42.46 40.45 3mv9 s ILE 54 CO 0.00 -0.01 0.53 0.00 -1.91 0.00 0.00 174.94 173.54 3mv9 s ALA 55 N -4.02 -1.30 0.11 1.50 0.00 -0.56 -1.80 121.76 115.69 3mv9 s ALA 55 Ca 0.23 1.48 0.08 0.00 0.00 0.00 0.00 51.96 53.76 3mv9 s ALA 55 Cb -0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3mv9 s ALA 55 CO 0.09 -0.25 -0.15 0.71 0.00 0.00 0.00 175.76 176.15 3mv9 s TYR 56 N 0.29 2.60 0.00 0.00 2.02 -0.90 0.13 117.35 121.50 3mv9 s TYR 56 Ca -0.00 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 3mv9 s TYR 56 Cb -0.04 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.14 3mv9 s TYR 56 CO 0.01 0.39 0.00 0.98 -1.57 0.00 0.00 175.55 175.36 3mv9 n TYR 57 N 0.80 0.00 -0.09 2.71 9.36 0.11 -2.52 117.16 127.53 3mv9 n TYR 57 Ca -0.15 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.85 3mv9 n TYR 57 Cb 0.53 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.12 3mv9 n TYR 57 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3mv9 n ASN 58 N 0.00 1.91 0.00 2.98 4.05 -1.26 -4.07 115.26 118.87 3mv9 n ASN 58 Ca 0.00 0.38 0.00 0.00 0.45 0.00 0.00 54.58 55.41 3mv9 n ASN 58 Cb 0.00 -0.94 0.00 0.00 1.23 0.00 0.00 39.78 40.07 3mv9 n ASN 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3mv9 n GLY 59 N 1.51 0.76 0.00 8.20 0.00 -1.26 -4.90 105.19 109.50 3mv9 n GLY 59 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3mv9 n GLY 59 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mv9 n GLU 60 N -0.56 0.00 -1.75 1.61 2.13 -1.26 -4.33 120.64 116.47 3mv9 n GLU 60 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 3mv9 n GLU 60 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3mv9 n GLU 60 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3mv9 s GLU 61 N -0.02 4.15 -0.02 5.31 2.12 -1.26 -0.71 118.70 128.26 3mv9 s GLU 61 Ca 0.00 2.52 0.10 0.00 0.36 0.00 0.00 54.97 57.95 3mv9 s GLU 61 Cb 0.00 -4.03 -0.15 0.00 0.26 0.00 0.00 34.13 30.21 3mv9 s GLU 61 CO 0.00 -0.91 0.19 -2.13 -0.54 0.00 0.00 175.26 171.87 3mv9 n ARG 66 N 7.15 0.62 -3.50 4.30 3.00 0.35 -4.86 116.66 123.72 3mv9 n ARG 66 Ca 0.19 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.85 57.87 3mv9 n ARG 66 Cb 0.41 -1.23 -0.02 0.00 0.00 0.00 0.00 32.46 31.62 3mv9 n ARG 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mv9 s ALA 67 N -2.62 -1.73 -0.13 5.13 0.00 -0.75 -4.98 121.76 116.69 3mv9 s ALA 67 Ca -0.04 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 3mv9 s ALA 67 Cb 0.06 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.82 3mv9 s ALA 67 CO 0.41 -0.74 0.10 0.21 0.00 0.00 0.00 175.76 175.73 3mv9 s LYS 68 N -3.34 0.03 0.00 0.00 2.20 -1.26 -1.50 119.74 115.87 3mv9 s LYS 68 Ca 0.04 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 3mv9 s LYS 68 Cb -0.01 -1.30 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 3mv9 s LYS 68 CO -0.09 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 3mv9 n GLY 69 N 5.29 0.87 1.53 5.54 0.00 0.37 -4.94 105.19 113.85 3mv9 n GLY 69 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3mv9 n GLY 69 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mv9 n ASN 70 N 0.00 3.88 -4.55 1.61 5.03 -0.71 -4.93 115.26 115.59 3mv9 n ASN 70 Ca 0.00 -3.80 -0.35 0.00 0.87 0.00 0.00 54.58 51.29 3mv9 n ASN 70 Cb 0.00 -0.52 0.09 0.00 -1.02 0.00 0.00 39.78 38.32 3mv9 n ASN 70 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 3mv9 n ILE 71 N -0.93 2.16 -3.93 2.41 -5.35 -1.19 -4.96 119.36 107.58 3mv9 n ILE 71 Ca 0.38 -0.36 -0.35 0.00 -0.27 0.00 0.00 62.75 62.16 3mv9 n ILE 71 Cb 0.90 -0.94 -0.09 0.00 -1.74 0.00 0.00 39.64 37.77 3mv9 n ILE 71 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3mv9 s LEU 72 N -2.09 3.98 0.00 7.28 1.02 -1.26 -4.94 118.68 122.67 3mv9 s LEU 72 Ca 0.69 0.16 0.00 0.00 0.02 0.00 0.00 54.13 55.01 3mv9 s LEU 72 Cb -0.33 -2.01 0.00 0.00 0.02 0.00 0.00 46.19 43.87 3mv9 s LEU 72 CO 0.54 0.21 0.00 -1.84 0.02 0.00 0.00 176.35 175.28 3mv9 n GLU 74 N 3.32 0.00 0.11 1.70 0.00 -1.26 0.17 120.64 124.69 3mv9 n GLU 74 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.04 3mv9 n GLU 74 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.97 3mv9 n GLU 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3mv9 h ARG 75 N 0.00 0.00 -6.39 3.44 2.43 -1.94 -3.46 114.38 108.47 3mv9 h ARG 75 Ca 0.00 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.71 3mv9 h ARG 75 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3mv9 h ARG 75 CO 0.00 0.26 -0.29 -0.06 -1.51 0.00 0.00 179.97 178.36 3mv9 s PHE 76 N -3.07 3.34 -0.02 2.20 0.08 0.45 -3.59 117.98 117.38 3mv9 s PHE 76 Ca 0.01 0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.83 3mv9 s PHE 76 Cb 0.08 -1.88 0.07 0.00 -0.57 0.00 0.00 43.02 40.72 3mv9 s PHE 76 CO 0.76 0.12 0.67 -1.54 -0.10 0.00 0.00 175.22 175.14 3mv9 s SER 77 N -4.08 -0.64 0.23 1.36 1.04 -0.51 -4.60 113.70 106.50 3mv9 s SER 77 Ca 0.41 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 57.24 3mv9 s SER 77 Cb -0.09 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3mv9 s SER 77 CO 0.33 -0.66 0.62 0.00 0.98 0.00 0.00 173.24 174.51 3mv9 s ALA 78 N -1.58 -1.16 0.14 5.32 0.00 -1.26 0.13 121.76 123.34 3mv9 s ALA 78 Ca -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 3mv9 s ALA 78 Cb -0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 3mv9 s ALA 78 CO 0.06 -0.90 0.10 -1.14 0.00 0.00 0.00 175.76 173.88 3mv9 s GLN 79 N -3.87 0.98 -0.18 0.00 0.74 -0.54 -5.00 119.66 111.78 3mv9 s GLN 79 Ca 0.09 -1.40 0.01 0.00 0.05 0.00 0.00 55.36 54.11 3mv9 s GLN 79 Cb -0.03 0.27 0.03 0.00 1.10 0.00 0.00 33.01 34.38 3mv9 s GLN 79 CO -0.00 -0.30 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.18 3mv9 s GLN 80 N -4.04 2.18 0.83 1.67 0.74 -1.26 -1.89 119.66 117.89 3mv9 s GLN 80 Ca 0.23 -0.73 -0.11 0.00 0.05 0.00 0.00 55.36 54.80 3mv9 s GLN 80 Cb 0.07 -2.30 0.09 0.00 1.10 0.00 0.00 33.01 31.97 3mv9 s GLN 80 CO 0.02 -0.34 1.09 -0.06 -0.55 0.00 0.00 175.29 175.45 3mv9 s PHE 81 N 1.43 2.50 0.16 1.67 0.08 -0.71 -4.26 117.98 118.85 3mv9 s PHE 81 Ca 0.01 1.36 -0.20 0.00 0.12 0.00 0.00 56.93 58.23 3mv9 s PHE 81 Cb -0.15 -3.10 0.07 0.00 -0.57 0.00 0.00 43.02 39.27 3mv9 s PHE 81 CO -0.09 -2.06 1.29 -2.30 -0.10 0.00 0.00 175.22 171.95 3mv9 n PRO 83 N -3.67 -0.28 0.00 0.24 -0.02 -1.26 -2.68 135.00 127.33 3mv9 n PRO 83 Ca 0.08 1.27 0.00 0.00 -2.02 0.00 0.00 63.50 62.83 3mv9 n PRO 83 Cb 0.54 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3mv9 n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3mv9 n ASP 84 N -5.13 0.00 0.00 2.55 5.68 -1.26 -4.92 116.55 113.46 3mv9 n ASP 84 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 3mv9 n ASP 84 Cb 0.28 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3mv9 n ASP 84 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3mv9 n LEU 85 N 0.00 0.00 -4.78 -2.12 4.77 -1.09 -5.07 117.00 108.71 3mv9 n LEU 85 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3mv9 n LEU 85 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3mv9 n LEU 85 CO 0.00 0.02 0.76 -1.38 -1.33 0.00 0.00 177.39 175.47 3mv9 s HIS 86 N 0.00 3.00 0.29 -1.77 -3.43 -1.26 -4.62 115.29 107.50 3mv9 s HIS 86 Ca 0.00 1.58 0.07 0.00 -0.80 0.00 0.00 55.06 55.92 3mv9 s HIS 86 Cb 0.00 -3.20 -0.03 0.00 -1.43 0.00 0.00 32.58 27.91 3mv9 s HIS 86 CO 0.00 -1.06 0.22 0.45 -2.00 0.00 0.00 174.74 172.35 3mv9 s SER 87 N -1.66 5.30 -0.08 7.38 0.15 0.11 -1.73 113.70 123.17 3mv9 s SER 87 Ca 0.64 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 3mv9 s SER 87 Cb -0.22 -1.14 0.05 0.00 -1.71 0.00 0.00 66.02 62.99 3mv9 s SER 87 CO 0.27 -0.19 0.16 -1.61 1.20 0.00 0.00 173.24 173.07 3mv9 s GLU 88 N -3.90 0.04 -0.18 5.44 2.02 -0.79 -2.80 118.70 118.53 3mv9 s GLU 88 Ca 0.37 0.54 -0.04 0.00 0.02 0.00 0.00 54.97 55.86 3mv9 s GLU 88 Cb -0.07 -0.26 -0.02 0.00 0.10 0.00 0.00 34.13 33.88 3mv9 s GLU 88 CO 0.25 -0.29 -0.04 -1.17 0.02 0.00 0.00 175.26 174.03 3mv9 s LEU 89 N 2.15 3.10 -0.12 1.80 2.96 -0.69 -1.47 118.68 126.40 3mv9 s LEU 89 Ca 0.01 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3mv9 s LEU 89 Cb -0.12 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3mv9 s LEU 89 CO -0.06 0.10 -0.15 0.20 -1.32 0.00 0.00 176.35 175.13 3mv9 s ASN 90 N 0.77 3.88 -0.45 3.68 0.01 0.35 -0.39 114.94 122.78 3mv9 s ASN 90 Ca -0.02 -0.36 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 3mv9 s ASN 90 Cb -0.15 -1.57 0.12 0.00 0.41 0.00 0.00 41.25 40.06 3mv9 s ASN 90 CO 0.02 0.17 0.18 -0.76 -1.51 0.00 0.00 177.10 175.20 3mv9 s LEU 91 N 0.33 4.48 0.39 0.60 1.43 0.13 -1.43 118.68 124.62 3mv9 s LEU 91 Ca -0.12 -2.71 -0.02 0.00 -1.03 0.00 0.00 54.13 50.25 3mv9 s LEU 91 Cb -0.16 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3mv9 s LEU 91 CO 0.06 -0.29 0.64 -0.94 0.23 0.00 0.00 176.35 176.05 3mv9 s SER 92 N 0.14 6.31 -1.41 2.29 1.04 -1.24 -2.21 113.70 118.62 3mv9 s SER 92 Ca 0.15 0.66 -0.09 0.00 0.48 0.00 0.00 55.95 57.16 3mv9 s SER 92 Cb -0.23 -2.13 0.04 0.00 0.10 0.00 0.00 66.02 63.80 3mv9 s SER 92 CO -0.03 -0.38 1.00 -1.20 0.98 0.00 0.00 173.24 173.60 3mv9 n SER 93 N -1.84 -4.36 -4.55 7.02 7.64 0.35 -4.82 113.62 113.06 3mv9 n SER 93 Ca -0.02 -0.70 -0.49 0.00 1.01 0.00 0.00 58.87 58.66 3mv9 n SER 93 Cb 0.55 -4.38 -0.04 0.00 -1.01 0.00 0.00 64.21 59.33 3mv9 n SER 93 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3mv9 n LEU 94 N -4.66 1.04 -4.80 -3.43 4.77 0.36 -4.31 117.00 105.97 3mv9 n LEU 94 Ca -0.06 1.15 -0.22 0.00 -0.03 0.00 0.00 56.01 56.84 3mv9 n LEU 94 Cb 0.58 -1.16 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 3mv9 n LEU 94 CO 0.70 -1.58 -0.13 -1.61 -1.33 0.00 0.00 177.39 173.43 3mv9 s GLU 95 N -0.50 2.58 0.22 3.23 2.02 -1.26 0.11 118.70 125.11 3mv9 s GLU 95 Ca 0.73 -1.39 -0.07 0.00 0.02 0.00 0.00 54.97 54.25 3mv9 s GLU 95 Cb -0.89 -2.35 0.19 0.00 0.10 0.00 0.00 34.13 31.17 3mv9 s GLU 95 CO 0.54 0.11 1.82 -0.07 0.02 0.00 0.00 175.26 177.68 3mv9 h LEU 96 N 1.38 1.12 -1.55 1.80 3.38 -1.94 -1.73 115.31 117.77 3mv9 h LEU 96 Ca -0.44 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 3mv9 h LEU 96 Cb 1.25 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3mv9 h LEU 96 CO 0.60 0.94 0.01 0.61 0.09 0.00 0.00 178.44 180.70 3mv9 n GLY 97 N -1.01 1.80 0.12 0.83 0.00 -1.26 -2.50 105.19 103.16 3mv9 n GLY 97 Ca 0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 3mv9 n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mv9 n ASP 98 N 0.23 1.37 -3.42 1.61 8.00 -0.65 -4.95 116.55 118.74 3mv9 n ASP 98 Ca 0.01 -0.04 -0.47 0.00 0.71 0.00 0.00 54.79 55.00 3mv9 n ASP 98 Cb 0.40 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 3mv9 n ASP 98 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mv9 n SER 99 N -3.12 0.36 0.00 -2.24 7.64 -1.04 -4.81 113.62 110.41 3mv9 n SER 99 Ca -0.40 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.35 3mv9 n SER 99 Cb 1.05 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3mv9 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mv9 n ALA 100 N 1.87 0.00 -2.89 -0.43 0.00 -0.22 -4.76 120.51 114.08 3mv9 n ALA 100 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 3mv9 n ALA 100 Cb 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 3mv9 n ALA 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mv9 s LEU 101 N 0.00 3.55 -0.24 0.00 1.43 -0.67 0.50 118.68 123.26 3mv9 s LEU 101 Ca 0.00 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3mv9 s LEU 101 Cb 0.00 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3mv9 s LEU 101 CO 0.00 0.16 0.01 -0.31 0.23 0.00 0.00 176.35 176.44 3mv9 s TYR 102 N 0.45 3.02 -0.30 0.29 1.51 -0.91 -0.53 117.35 120.87 3mv9 s TYR 102 Ca 0.00 -0.72 -0.07 0.00 -1.01 0.00 0.00 57.07 55.26 3mv9 s TYR 102 Cb -0.13 -2.17 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 3mv9 s TYR 102 CO 0.02 -0.47 0.10 -0.06 -1.11 0.00 0.00 175.55 174.02 3mv9 s PHE 103 N 1.54 3.16 0.34 2.71 0.08 0.13 -1.89 117.98 124.05 3mv9 s PHE 103 Ca 0.06 -0.95 -0.20 0.00 0.12 0.00 0.00 56.93 55.96 3mv9 s PHE 103 Cb -0.15 -2.28 -0.10 0.00 -0.57 0.00 0.00 43.02 39.93 3mv9 s PHE 103 CO -0.00 -0.57 0.83 0.00 -0.10 0.00 0.00 175.22 175.38 3mv9 s ALA 105 N -1.89 0.47 -0.22 0.00 0.00 0.23 -1.55 121.76 118.80 3mv9 s ALA 105 Ca 0.54 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 3mv9 s ALA 105 Cb -0.12 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.21 3mv9 s ALA 105 CO 0.18 -0.18 -0.01 -1.54 0.00 0.00 0.00 175.76 174.20 3mv9 s SER 106 N -2.09 3.52 0.86 0.00 1.04 -0.29 0.27 113.70 117.01 3mv9 s SER 106 Ca -0.04 -1.07 -0.13 0.00 0.48 0.00 0.00 55.95 55.18 3mv9 s SER 106 Cb -0.03 -0.96 0.12 0.00 0.10 0.00 0.00 66.02 65.24 3mv9 s SER 106 CO -0.03 -0.27 1.22 -0.94 0.98 0.00 0.00 173.24 174.20 3mv9 s SER 107 N 1.57 4.08 0.00 7.02 1.04 -1.26 -2.23 113.70 123.91 3mv9 s SER 107 Ca -0.03 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.02 3mv9 s SER 107 Cb -0.18 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 64.95 3mv9 s SER 107 CO -0.07 -2.16 0.00 0.00 0.98 0.00 0.00 173.24 171.98 3mv9 n ALA 108 N -3.46 0.00 0.22 5.32 0.00 -0.95 -4.48 120.51 117.16 3mv9 n ALA 108 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 3mv9 n ALA 108 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 3mv9 n ALA 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3mv9 n ARG 109 N -1.16 0.70 0.00 0.00 0.63 -1.26 -3.33 116.66 112.24 3mv9 n ARG 109 Ca 0.00 -0.68 0.07 0.00 -0.92 0.00 0.00 57.85 56.32 3mv9 n ARG 109 Cb 0.00 -1.04 -0.03 0.00 0.45 0.00 0.00 32.46 31.84 3mv9 n ARG 109 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3mv9 n SER 110 N 0.07 1.16 -3.56 6.15 7.64 -1.26 -4.93 113.62 118.88 3mv9 n SER 110 Ca 0.03 -1.08 -0.29 0.00 1.01 0.00 0.00 58.87 58.54 3mv9 n SER 110 Cb 0.12 0.70 -0.14 0.00 -1.01 0.00 0.00 64.21 63.88 3mv9 n SER 110 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3mv9 s GLY 111 N -2.01 0.73 1.03 0.23 0.00 -1.26 -5.17 107.32 100.87 3mv9 s GLY 111 Ca 0.09 -1.44 -0.12 0.00 0.00 0.00 0.00 44.72 43.25 3mv9 s GLY 111 CO 0.46 1.98 1.08 -1.83 0.00 0.00 0.00 173.10 174.78 3mv9 s GLU 112 N 1.70 0.15 -0.28 2.90 1.03 -1.21 -4.35 118.70 118.63 3mv9 s GLU 112 Ca 0.12 0.63 -0.06 0.00 0.03 0.00 0.00 54.97 55.69 3mv9 s GLU 112 Cb -0.18 -1.69 0.01 0.00 -0.80 0.00 0.00 34.13 31.46 3mv9 s GLU 112 CO -0.24 -2.95 0.06 -0.51 -1.33 0.00 0.00 175.26 170.29 3mv9 s LEU 113 N -6.64 3.69 -0.39 1.83 1.43 -1.26 -2.24 118.68 115.11 3mv9 s LEU 113 Ca 0.66 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 3mv9 s LEU 113 Cb -0.20 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3mv9 s LEU 113 CO 0.59 -0.16 0.52 -0.36 0.23 0.00 0.00 176.35 177.18 3mv9 s PHE 114 N 1.50 3.15 0.48 0.29 0.08 -0.95 -4.90 117.98 117.64 3mv9 s PHE 114 Ca 0.03 0.00 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 3mv9 s PHE 114 Cb -0.17 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 3mv9 s PHE 114 CO 0.02 -0.65 0.77 -0.06 -0.10 0.00 0.00 175.22 175.20 3mv9 s PHE 115 N 2.43 3.47 0.65 0.36 0.40 -1.26 -1.14 117.98 122.89 3mv9 s PHE 115 Ca 0.18 0.67 0.04 0.00 -0.60 0.00 0.00 56.93 57.22 3mv9 s PHE 115 Cb -0.15 -2.33 0.11 0.00 0.51 0.00 0.00 43.02 41.15 3mv9 s PHE 115 CO 0.15 -0.34 0.90 0.20 0.70 0.00 0.00 175.22 176.82 3mv9 s GLY 116 N -4.15 1.75 0.00 4.36 0.00 -0.59 -4.50 107.32 104.19 3mv9 s GLY 116 Ca 0.48 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3mv9 s GLY 116 CO 0.43 -1.42 0.80 1.18 0.00 0.00 0.00 173.10 174.09 3mv9 n GLU 117 N -2.55 0.85 -1.50 2.90 4.71 -1.26 -4.86 120.64 118.94 3mv9 n GLU 117 Ca 0.15 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.44 3mv9 n GLU 117 Cb 0.61 -1.05 -0.07 0.00 -1.01 0.00 0.00 31.44 29.91 3mv9 n GLU 117 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3mv9 n GLY 118 N 0.32 -3.60 2.95 0.62 0.00 -1.26 -4.94 105.19 99.28 3mv9 n GLY 118 Ca 0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 3mv9 n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mv9 s SER 119 N -6.83 1.89 -0.32 1.61 1.04 -0.79 -4.73 113.70 105.57 3mv9 s SER 119 Ca 0.00 -0.28 -0.20 0.00 0.48 0.00 0.00 55.95 55.96 3mv9 s SER 119 Cb 0.00 -0.79 -0.01 0.00 0.10 0.00 0.00 66.02 65.32 3mv9 s SER 119 CO 0.00 -0.05 0.60 -0.60 0.98 0.00 0.00 173.24 174.16 3mv9 s ARG 120 N 1.23 3.84 -0.30 4.02 3.00 0.12 -2.13 118.95 128.72 3mv9 s ARG 120 Ca -0.04 0.19 -0.12 0.00 -1.00 0.00 0.00 55.73 54.76 3mv9 s ARG 120 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 34.95 31.03 3mv9 s ARG 120 CO -0.03 -0.58 0.20 -1.17 0.00 0.00 0.00 175.30 173.73 3mv9 s LEU 121 N 2.55 4.19 -0.31 -0.88 2.96 0.18 -2.41 118.68 124.97 3mv9 s LEU 121 Ca 0.23 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3mv9 s LEU 121 Cb -0.15 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.46 3mv9 s LEU 121 CO 0.12 -0.12 0.05 -0.89 -1.32 0.00 0.00 176.35 174.19 3mv9 s THR 122 N 1.74 3.48 -0.24 3.68 2.01 -0.52 -1.05 115.64 124.73 3mv9 s THR 122 Ca 0.07 -1.11 -0.08 0.00 0.31 0.00 0.00 61.69 60.88 3mv9 s THR 122 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 3mv9 s THR 122 CO 0.11 -0.06 0.10 -0.69 -0.69 0.00 0.00 174.62 173.38 3mv9 s VAL 123 N 1.37 4.70 0.28 3.82 1.01 -1.26 -1.90 120.40 128.42 3mv9 s VAL 123 Ca -0.02 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.02 3mv9 s VAL 123 Cb -0.19 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3mv9 s VAL 123 CO 0.01 0.35 -0.02 -0.76 0.00 0.00 0.00 175.10 174.68 3mv9 s LEU 124 N 1.29 3.10 0.09 3.92 1.43 0.71 -4.69 118.68 124.53 3mv9 s LEU 124 Ca 0.05 -0.74 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 3mv9 s LEU 124 Cb -0.15 -1.60 -0.14 0.00 0.03 0.00 0.00 46.19 44.33 3mv9 s LEU 124 CO 0.05 -0.04 1.66 -0.33 0.23 0.00 0.00 176.35 177.92 3mv9 h GLU 125 N 1.91 -0.48 -2.86 1.70 4.39 -1.96 -1.47 114.58 115.81 3mv9 h GLU 125 Ca -0.43 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 3mv9 h GLU 125 Cb 1.25 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.88 3mv9 h GLU 125 CO 0.61 -0.32 0.23 0.16 -1.16 0.00 0.00 179.01 178.53 3mv9 s ASP 126 N -4.77 -0.56 0.33 1.42 3.84 -1.26 -4.18 116.67 111.49 3mv9 s ASP 126 Ca -0.16 0.06 0.26 0.00 -0.00 0.00 0.00 52.55 52.72 3mv9 s ASP 126 Cb 0.06 0.58 0.95 0.00 -1.38 0.00 0.00 42.92 43.13 3mv9 s ASP 126 CO 0.64 -0.91 1.78 -0.07 -0.00 0.00 0.00 175.17 176.61 3mv9 h LEU 127 N 2.08 0.00 -1.94 2.11 3.38 -1.92 -3.35 115.31 115.68 3mv9 h LEU 127 Ca -0.33 0.00 0.32 0.00 0.09 0.00 0.00 57.88 57.97 3mv9 h LEU 127 Cb 1.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 3mv9 h LEU 127 CO 0.38 0.00 0.85 0.07 0.09 0.00 0.00 178.44 179.83 3mv9 h LYS 128 N 0.00 0.00 -0.91 1.13 2.10 -1.97 -0.26 116.57 116.66 3mv9 h LYS 128 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 3mv9 h LYS 128 Cb 0.56 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.78 3mv9 h LYS 128 CO 0.00 0.00 0.24 0.27 -2.00 0.00 0.00 179.45 177.96 3mv9 n ASN 129 N -4.06 3.55 -4.69 7.07 0.23 -1.26 -4.88 115.26 111.22 3mv9 n ASN 129 Ca 0.24 -2.79 -0.36 0.00 -0.53 0.00 0.00 54.58 51.14 3mv9 n ASN 129 Cb 1.22 -0.66 -0.08 0.00 -2.08 0.00 0.00 39.78 38.18 3mv9 n ASN 129 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3mv9 s VAL 130 N -1.94 5.34 0.01 3.53 1.01 -0.11 -4.70 120.40 123.53 3mv9 s VAL 130 Ca 0.32 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.67 3mv9 s VAL 130 Cb 0.26 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3mv9 s VAL 130 CO 0.07 0.36 -0.10 -0.36 0.00 0.00 0.00 175.10 175.07 3mv9 s PHE 131 N 0.85 0.88 0.49 5.22 0.08 -1.11 -4.78 117.98 119.61 3mv9 s PHE 131 Ca 0.11 -0.23 -0.20 0.00 0.12 0.00 0.00 56.93 56.73 3mv9 s PHE 131 Cb -0.13 -0.55 -0.08 0.00 -0.57 0.00 0.00 43.02 41.69 3mv9 s PHE 131 CO 0.03 -0.01 1.04 -2.14 -0.10 0.00 0.00 175.22 174.04 3mv9 s PRO 132 N -0.54 3.79 0.24 0.24 0.02 -1.26 -1.15 135.00 136.34 3mv9 s PRO 132 Ca 0.02 1.36 -0.30 0.00 0.02 0.00 0.00 61.00 62.10 3mv9 s PRO 132 Cb -0.05 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 3mv9 s PRO 132 CO 0.00 -0.44 1.05 -2.14 -0.33 0.00 0.00 177.00 175.14 3mv9 s PRO 133 N -3.24 4.69 0.22 5.54 0.02 -1.26 -4.49 135.00 136.47 3mv9 s PRO 133 Ca 0.67 1.69 -0.12 0.00 0.02 0.00 0.00 61.00 63.26 3mv9 s PRO 133 Cb -0.16 -3.24 -0.07 0.00 0.02 0.00 0.00 34.50 31.04 3mv9 s PRO 133 CO 0.20 0.26 0.58 -1.21 -0.33 0.00 0.00 177.00 176.50 3mv9 s GLU 134 N -1.06 3.90 -0.01 5.54 2.02 -0.69 -4.85 118.70 123.56 3mv9 s GLU 134 Ca 0.45 0.42 0.02 0.00 0.02 0.00 0.00 54.97 55.88 3mv9 s GLU 134 Cb -0.30 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 3mv9 s GLU 134 CO 0.37 0.34 -0.08 0.14 0.02 0.00 0.00 175.26 176.05 3mv9 s VAL 135 N -1.73 0.63 0.01 2.63 -7.23 -1.26 -1.41 120.40 112.05 3mv9 s VAL 135 Ca 0.45 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 3mv9 s VAL 135 Cb -0.12 -0.53 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 3mv9 s VAL 135 CO 0.20 0.18 -0.07 0.00 -0.31 0.00 0.00 175.10 175.10 3mv9 s ALA 136 N -0.19 0.55 -0.12 1.32 0.00 -0.85 -4.50 121.76 117.96 3mv9 s ALA 136 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 3mv9 s ALA 136 Cb -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3mv9 s ALA 136 CO -0.00 0.08 0.13 0.08 0.00 0.00 0.00 175.76 176.05 3mv9 s VAL 137 N -0.58 5.40 -0.26 0.00 1.01 -1.26 -1.00 120.40 123.71 3mv9 s VAL 137 Ca -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3mv9 s VAL 137 Cb -0.05 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.02 3mv9 s VAL 137 CO 0.00 0.61 -0.06 -0.36 0.00 0.00 0.00 175.10 175.29 3mv9 s PHE 138 N -0.96 3.15 0.71 5.22 0.40 0.14 -4.97 117.98 121.67 3mv9 s PHE 138 Ca 0.15 -1.82 -0.16 0.00 -0.60 0.00 0.00 56.93 54.49 3mv9 s PHE 138 Cb -0.12 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.38 3mv9 s PHE 138 CO 0.04 -0.79 1.05 0.39 0.70 0.00 0.00 175.22 176.61 3mv9 n GLU 139 N 4.60 0.62 -1.81 0.44 1.02 -1.26 -1.77 120.64 122.48 3mv9 n GLU 139 Ca -0.15 0.27 -0.41 0.00 -0.02 0.00 0.00 57.16 56.85 3mv9 n GLU 139 Cb 0.45 -2.30 -0.01 0.00 -0.02 0.00 0.00 31.44 29.56 3mv9 n GLU 139 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3mv9 s PRO 140 N -3.37 4.13 0.13 3.49 0.02 -1.24 -4.83 135.00 133.33 3mv9 s PRO 140 Ca 0.75 2.55 -0.31 0.00 0.02 0.00 0.00 61.00 64.02 3mv9 s PRO 140 Cb -0.35 -3.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.09 3mv9 s PRO 140 CO 0.48 -0.56 1.38 0.45 -0.33 0.00 0.00 177.00 178.41 3mv9 s SER 141 N 0.15 6.83 0.56 2.53 0.15 -1.26 -4.87 113.70 117.79 3mv9 s SER 141 Ca 0.57 2.35 0.25 0.00 0.70 0.00 0.00 55.95 59.82 3mv9 s SER 141 Cb -0.47 -2.59 1.56 0.00 -1.71 0.00 0.00 66.02 62.81 3mv9 s SER 141 CO 0.55 -0.63 2.13 -0.33 1.20 0.00 0.00 173.24 176.16 3mv9 h GLU 142 N 6.50 0.00 0.06 5.44 4.39 -1.98 -1.39 114.58 127.60 3mv9 h GLU 142 Ca -0.43 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 3mv9 h GLU 142 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3mv9 h GLU 142 CO 0.85 0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 178.67 3mv9 h ALA 143 N 1.86 -0.07 -0.49 3.43 0.00 -1.99 -1.76 119.26 120.24 3mv9 h ALA 143 Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3mv9 h ALA 143 Cb 0.36 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3mv9 h ALA 143 CO -0.00 -0.47 0.23 1.49 0.00 0.00 0.00 179.25 180.50 3mv9 h GLU 144 N -0.22 0.44 -0.20 0.00 4.81 -1.60 -1.01 114.58 116.79 3mv9 h GLU 144 Ca -0.01 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3mv9 h GLU 144 Cb 0.19 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3mv9 h GLU 144 CO 0.01 0.29 0.01 0.82 -0.73 0.00 0.00 179.01 179.42 3mv9 h ILE 145 N 0.46 0.87 -0.55 2.32 2.04 -1.20 0.22 117.51 121.67 3mv9 h ILE 145 Ca 0.22 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.06 3mv9 h ILE 145 Cb 0.15 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3mv9 h ILE 145 CO -0.17 0.01 0.36 0.28 0.00 0.00 0.00 178.15 178.64 3mv9 h SER 146 N 0.08 0.62 1.34 1.72 0.02 -0.97 0.44 113.55 116.81 3mv9 h SER 146 Ca 0.09 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3mv9 h SER 146 Cb 0.11 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3mv9 h SER 146 CO -0.15 0.44 -0.42 -0.74 -1.14 0.00 0.00 176.83 174.83 3mv9 h HIS 147 N 0.73 0.00 0.00 3.45 -0.00 -0.78 -3.38 115.15 115.16 3mv9 h HIS 147 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 3mv9 h HIS 147 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 3mv9 h HIS 147 CO -0.04 0.00 0.00 0.25 -0.00 0.00 0.00 177.93 178.14 3mv9 n THR 148 N -2.57 0.00 -4.45 6.26 -2.24 0.74 -5.01 114.28 107.01 3mv9 n THR 148 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 3mv9 n THR 148 Cb 0.49 1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.73 3mv9 n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mv9 n GLN 149 N 0.00 -0.76 -4.45 -0.78 0.00 0.15 -4.97 117.38 106.58 3mv9 n GLN 149 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 57.00 56.84 3mv9 n GLN 149 Cb 0.03 -4.63 -0.12 0.00 0.00 0.00 0.00 30.24 25.52 3mv9 n GLN 149 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3mv9 s LYS 150 N -7.09 1.80 -0.19 2.61 -0.14 -1.26 -2.19 119.74 113.28 3mv9 s LYS 150 Ca 0.81 -1.15 0.01 0.00 -1.36 0.00 0.00 55.97 54.28 3mv9 s LYS 150 Cb -0.47 -2.09 0.03 0.00 -1.68 0.00 0.00 37.83 33.62 3mv9 s LYS 150 CO 0.99 0.49 -0.17 0.00 -0.76 0.00 0.00 175.35 175.91 3mv9 s ALA 151 N -1.05 2.30 -0.39 5.17 0.00 0.22 -3.50 121.76 124.51 3mv9 s ALA 151 Ca 0.16 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 3mv9 s ALA 151 Cb -0.10 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 21.82 3mv9 s ALA 151 CO 0.08 -0.57 0.20 0.99 0.00 0.00 0.00 175.76 176.45 3mv9 s THR 152 N 1.28 4.05 0.45 0.00 2.01 -1.26 -0.11 115.64 122.06 3mv9 s THR 152 Ca 0.02 -1.29 -0.21 0.00 0.31 0.00 0.00 61.69 60.52 3mv9 s THR 152 Cb -0.15 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 3mv9 s THR 152 CO -0.11 -0.38 0.98 -0.76 -0.69 0.00 0.00 174.62 173.67 3mv9 s LEU 153 N 1.41 3.89 -0.08 4.42 1.02 0.20 -3.65 118.68 125.90 3mv9 s LEU 153 Ca 0.02 1.77 0.02 0.00 0.02 0.00 0.00 54.13 55.96 3mv9 s LEU 153 Cb -0.21 -4.55 0.01 0.00 0.02 0.00 0.00 46.19 41.46 3mv9 s LEU 153 CO 0.02 -0.52 -0.15 -0.69 0.02 0.00 0.00 176.35 175.04 3mv9 s VAL 154 N -2.13 1.36 -0.13 -1.59 1.01 -0.73 -1.77 120.40 116.42 3mv9 s VAL 154 Ca 0.64 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3mv9 s VAL 154 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3mv9 s VAL 154 CO 0.16 0.41 0.05 0.00 0.00 0.00 0.00 175.10 175.72 3mv9 s LEU 156 N -0.47 2.32 -0.24 0.00 2.96 -0.17 -1.65 118.68 121.43 3mv9 s LEU 156 Ca 0.10 -0.87 -0.08 0.00 -0.22 0.00 0.00 54.13 53.05 3mv9 s LEU 156 Cb -0.12 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 3mv9 s LEU 156 CO 0.02 -0.13 0.09 0.00 -1.32 0.00 0.00 176.35 175.01 3mv9 s ALA 157 N 1.37 3.28 0.20 5.97 0.00 0.90 -2.01 121.76 131.46 3mv9 s ALA 157 Ca -0.01 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3mv9 s ALA 157 Cb -0.16 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 3mv9 s ALA 157 CO -0.09 -0.33 0.00 0.95 0.00 0.00 0.00 175.76 176.30 3mv9 s THR 158 N 1.32 0.85 -1.01 0.00 -4.23 -0.50 0.73 115.64 112.80 3mv9 s THR 158 Ca 0.05 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 3mv9 s THR 158 Cb -0.15 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 3mv9 s THR 158 CO 0.04 -0.38 0.75 0.61 -0.54 0.00 0.00 174.62 175.11 3mv9 n GLY 159 N -0.34 -1.10 3.15 3.99 0.00 -0.69 -1.70 105.19 108.51 3mv9 n GLY 159 Ca -0.05 0.49 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 3mv9 n GLY 159 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mv9 s PHE 160 N -3.30 1.00 -0.19 1.61 -0.71 -1.10 -4.33 117.98 110.96 3mv9 s PHE 160 Ca 0.32 -0.61 -0.10 0.00 -1.04 0.00 0.00 56.93 55.50 3mv9 s PHE 160 Cb -0.11 -0.56 0.06 0.00 -1.21 0.00 0.00 43.02 41.20 3mv9 s PHE 160 CO 0.84 -0.01 0.45 -0.47 -1.34 0.00 0.00 175.22 174.69 3mv9 s TYR 161 N -2.12 -0.67 0.00 3.49 5.04 -0.30 -1.77 117.35 121.02 3mv9 s TYR 161 Ca 0.02 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 3mv9 s TYR 161 Cb -0.05 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.58 3mv9 s TYR 161 CO 0.00 -0.37 0.00 -0.35 -1.34 0.00 0.00 175.55 173.49 3mv9 n PRO 162 N 4.28 3.19 -0.44 4.97 -0.05 -1.26 -2.73 135.00 142.96 3mv9 n PRO 162 Ca -0.23 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.18 3mv9 n PRO 162 Cb 0.56 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.95 3mv9 n PRO 162 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3mv9 n ASP 163 N 0.00 2.71 -3.78 3.54 -0.08 -1.26 -4.69 116.55 112.98 3mv9 n ASP 163 Ca 0.00 -1.92 -0.28 0.00 -1.51 0.00 0.00 54.79 51.08 3mv9 n ASP 163 Cb 0.00 -0.68 -0.11 0.00 2.34 0.00 0.00 41.12 42.66 3mv9 n ASP 163 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3mv9 n HIS 164 N 2.45 2.56 -4.18 -0.67 8.25 -1.26 -5.07 115.22 117.30 3mv9 n HIS 164 Ca 0.16 -4.13 -0.11 0.00 -0.26 0.00 0.00 57.72 53.37 3mv9 n HIS 164 Cb 0.41 -0.47 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 3mv9 n HIS 164 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3mv9 s VAL 165 N -1.29 0.22 -0.09 1.59 -7.23 -1.26 -2.39 120.40 109.95 3mv9 s VAL 165 Ca 0.27 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3mv9 s VAL 165 Cb -0.01 -2.14 0.05 0.00 0.56 0.00 0.00 36.38 34.84 3mv9 s VAL 165 CO -0.16 -0.39 0.17 -1.61 -0.31 0.00 0.00 175.10 172.79 3mv9 s GLU 166 N -4.04 0.07 -0.10 4.82 2.02 -1.13 -4.99 118.70 115.35 3mv9 s GLU 166 Ca 0.26 0.54 -0.05 0.00 0.02 0.00 0.00 54.97 55.74 3mv9 s GLU 166 Cb 0.07 -0.22 -0.04 0.00 0.10 0.00 0.00 34.13 34.05 3mv9 s GLU 166 CO 0.04 -0.27 0.10 -1.17 0.02 0.00 0.00 175.26 173.98 3mv9 s LEU 167 N 2.01 4.12 -0.09 1.80 0.20 -1.26 -1.85 118.68 123.60 3mv9 s LEU 167 Ca -0.00 0.35 -0.07 0.00 0.69 0.00 0.00 54.13 55.10 3mv9 s LEU 167 Cb -0.12 -2.01 0.03 0.00 -0.43 0.00 0.00 46.19 43.66 3mv9 s LEU 167 CO -0.06 0.39 0.23 -0.94 -0.29 0.00 0.00 176.35 175.68 3mv9 s SER 168 N -1.02 -0.24 -0.21 3.68 1.04 0.25 -4.98 113.70 112.21 3mv9 s SER 168 Ca 0.15 0.48 -0.14 0.00 0.48 0.00 0.00 55.95 56.92 3mv9 s SER 168 Cb -0.12 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3mv9 s SER 168 CO 0.04 -0.10 0.30 0.26 0.98 0.00 0.00 173.24 174.72 3mv9 s TRP 169 N 0.45 3.37 -0.25 5.02 0.52 -1.26 0.64 118.94 127.43 3mv9 s TRP 169 Ca -0.03 0.49 -0.02 0.00 0.02 0.00 0.00 56.10 56.56 3mv9 s TRP 169 Cb -0.04 -2.41 0.03 0.00 -1.15 0.00 0.00 33.47 29.90 3mv9 s TRP 169 CO -0.02 0.06 -0.05 -1.58 0.02 0.00 0.00 176.95 175.38 3mv9 s TRP 170 N 1.07 3.08 -0.24 -1.98 0.52 -0.17 -1.60 118.94 119.62 3mv9 s TRP 170 Ca 0.15 -1.54 -0.06 0.00 0.02 0.00 0.00 56.10 54.67 3mv9 s TRP 170 Cb -0.14 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 3mv9 s TRP 170 CO 0.06 -0.72 0.02 0.08 0.02 0.00 0.00 176.95 176.41 3mv9 s VAL 171 N 1.33 3.86 -1.42 4.03 1.01 -0.89 -1.91 120.40 126.40 3mv9 s VAL 171 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 3mv9 s VAL 171 Cb -0.17 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.43 3mv9 s VAL 171 CO -0.04 0.33 0.67 0.59 0.00 0.00 0.00 175.10 176.66 3mv9 n ASN 172 N 4.86 -1.81 0.00 3.32 3.02 -0.52 -2.25 115.26 121.88 3mv9 n ASN 172 Ca -0.17 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3mv9 n ASN 172 Cb 0.51 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 3mv9 n ASN 172 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mv9 n GLY 173 N -1.72 2.87 3.24 7.41 0.00 -1.26 -4.99 105.19 110.74 3mv9 n GLY 173 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3mv9 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mv9 s LYS 174 N -0.08 3.11 0.61 1.61 1.02 -0.95 -5.04 119.74 120.01 3mv9 s LYS 174 Ca 0.00 -0.79 -0.19 0.00 0.02 0.00 0.00 55.97 55.01 3mv9 s LYS 174 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3mv9 s LYS 174 CO 0.00 -0.28 1.14 -1.91 -0.92 0.00 0.00 175.35 173.37 3mv9 n GLU 175 N 4.72 1.10 -4.25 1.68 2.13 -1.26 -2.10 120.64 122.66 3mv9 n GLU 175 Ca -0.18 0.42 -0.14 0.00 0.66 0.00 0.00 57.16 57.92 3mv9 n GLU 175 Cb 0.49 -2.35 -0.10 0.00 0.27 0.00 0.00 31.44 29.75 3mv9 n GLU 175 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3mv9 s VAL 176 N -1.43 0.95 0.00 6.31 -7.23 -0.63 -4.85 120.40 113.52 3mv9 s VAL 176 Ca 0.77 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3mv9 s VAL 176 Cb -0.41 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3mv9 s VAL 176 CO 0.45 -0.61 0.00 1.41 -0.31 0.00 0.00 175.10 176.04 3mv9 n HIS 177 N -0.23 0.00 -3.22 2.82 -0.00 -1.26 -4.56 115.22 108.77 3mv9 n HIS 177 Ca -0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.25 3mv9 n HIS 177 Cb 0.62 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.55 3mv9 n HIS 177 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3mv9 s SER 178 N -0.74 6.79 0.00 0.41 1.04 -1.26 -3.95 113.70 116.00 3mv9 s SER 178 Ca 0.00 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.38 3mv9 s SER 178 Cb 0.00 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.79 3mv9 s SER 178 CO 0.00 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3mv9 n GLY 179 N 3.21 0.62 3.36 7.32 0.00 -1.26 -4.83 105.19 113.61 3mv9 n GLY 179 Ca -0.05 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3mv9 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mv9 s VAL 180 N -2.00 2.47 -0.22 1.61 0.11 -1.24 0.71 120.40 121.83 3mv9 s VAL 180 Ca 0.00 -0.94 -0.04 0.00 -2.93 0.00 0.00 61.98 58.08 3mv9 s VAL 180 Cb 0.00 -1.92 0.10 0.00 -1.53 0.00 0.00 36.38 33.03 3mv9 s VAL 180 CO 0.00 0.58 0.21 0.00 -3.33 0.00 0.00 175.10 172.56 3mv9 s THR 182 N 2.30 4.48 0.26 0.00 -1.32 -1.26 -0.65 115.64 119.45 3mv9 s THR 182 Ca 0.07 -0.41 -0.31 0.00 -1.21 0.00 0.00 61.69 59.84 3mv9 s THR 182 Cb -0.16 -2.99 -0.12 0.00 -1.51 0.00 0.00 72.50 67.72 3mv9 s THR 182 CO -0.16 0.43 1.57 0.47 -2.21 0.00 0.00 174.62 174.72 3mv9 n ASP 183 N 1.51 3.58 -0.32 8.08 10.43 -0.73 -4.89 116.55 134.22 3mv9 n ASP 183 Ca -0.15 1.13 0.16 0.00 2.57 0.00 0.00 54.79 58.50 3mv9 n ASP 183 Cb 0.53 -1.54 0.41 0.00 1.84 0.00 0.00 41.12 42.35 3mv9 n ASP 183 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 3mv9 h PRO 184 N 4.95 0.59 -4.35 -0.24 0.11 -1.97 -3.43 132.00 127.66 3mv9 h PRO 184 Ca -0.46 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3mv9 h PRO 184 Cb 1.24 -0.13 -0.15 0.00 0.11 0.00 0.00 31.00 32.06 3mv9 h PRO 184 CO 0.81 0.39 -0.68 -0.65 -0.21 0.00 0.00 178.00 177.66 3mv9 s GLN 185 N -5.67 0.70 0.89 1.05 -1.52 -1.26 -5.17 119.66 108.68 3mv9 s GLN 185 Ca -0.10 -1.27 -0.13 0.00 -1.95 0.00 0.00 55.36 51.91 3mv9 s GLN 185 Cb 0.24 0.13 0.13 0.00 -0.22 0.00 0.00 33.01 33.29 3mv9 s GLN 185 CO 0.80 -0.11 1.17 -2.14 -0.25 0.00 0.00 175.29 174.75 3mv9 s PRO 186 N -3.92 1.30 -0.09 2.91 0.02 -1.26 -4.93 135.00 129.02 3mv9 s PRO 186 Ca 0.10 0.15 0.03 0.00 0.02 0.00 0.00 61.00 61.30 3mv9 s PRO 186 Cb 0.07 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.73 3mv9 s PRO 186 CO -0.07 -2.06 -0.17 -1.17 -0.33 0.00 0.00 177.00 173.19 3mv9 s LEU 187 N -5.90 1.82 0.05 -5.54 2.96 -0.55 -4.93 118.68 106.59 3mv9 s LEU 187 Ca 0.64 -0.42 -0.31 0.00 -0.22 0.00 0.00 54.13 53.82 3mv9 s LEU 187 Cb -0.12 -1.10 -0.06 0.00 0.50 0.00 0.00 46.19 45.41 3mv9 s LEU 187 CO 0.52 0.07 1.30 -0.54 -1.32 0.00 0.00 176.35 176.38 3mv9 s LYS 188 N 0.65 4.36 0.44 1.98 1.02 -1.26 -0.13 119.74 126.79 3mv9 s LYS 188 Ca -0.14 1.88 0.24 0.00 0.02 0.00 0.00 55.97 57.98 3mv9 s LYS 188 Cb -0.16 -3.40 0.82 0.00 -0.52 0.00 0.00 37.83 34.57 3mv9 s LYS 188 CO 0.04 -0.40 1.78 0.93 -0.92 0.00 0.00 175.35 176.78 3mv9 h GLU 189 N 7.13 0.00 -2.35 1.68 5.08 -1.26 -3.37 114.58 121.49 3mv9 h GLU 189 Ca -0.40 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.49 3mv9 h GLU 189 Cb 1.20 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.09 3mv9 h GLU 189 CO 0.86 0.21 -0.76 1.14 -1.00 0.00 0.00 179.01 179.45 3mv9 s GLN 190 N -3.53 0.50 0.62 2.33 -2.07 -1.26 -5.00 119.66 111.25 3mv9 s GLN 190 Ca 0.02 -0.92 0.30 0.00 -1.82 0.00 0.00 55.36 52.93 3mv9 s GLN 190 Cb 0.09 -1.01 1.59 0.00 -1.09 0.00 0.00 33.01 32.59 3mv9 s GLN 190 CO 0.64 -1.16 1.96 -1.35 -1.32 0.00 0.00 175.29 174.06 3mv9 h PRO 191 N 7.36 0.00 0.00 9.60 0.11 -1.94 -0.86 132.00 146.28 3mv9 h PRO 191 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3mv9 h PRO 191 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3mv9 h PRO 191 CO 0.27 0.00 -0.35 0.00 -0.21 0.00 0.00 178.00 177.72 3mv9 h ALA 192 N 1.49 0.97 -2.28 -0.75 0.00 -1.95 -3.43 119.26 113.31 3mv9 h ALA 192 Ca 0.11 -0.32 -0.48 0.00 0.00 0.00 0.00 54.91 54.22 3mv9 h ALA 192 Cb 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3mv9 h ALA 192 CO -0.00 0.43 -0.32 -0.51 0.00 0.00 0.00 179.25 178.85 3mv9 s LEU 193 N -6.93 4.18 -0.14 0.00 1.02 -0.33 -5.04 118.68 111.44 3mv9 s LEU 193 Ca 0.01 0.28 -0.11 0.00 0.02 0.00 0.00 54.13 54.33 3mv9 s LEU 193 Cb 0.10 -3.10 -0.07 0.00 0.02 0.00 0.00 46.19 43.14 3mv9 s LEU 193 CO 0.68 -0.15 0.02 -0.55 0.02 0.00 0.00 176.35 176.37 3mv9 h ASN 194 N 1.18 0.00 0.00 2.29 7.08 -1.84 -3.31 115.58 120.99 3mv9 h ASN 194 Ca -0.50 -0.18 0.00 0.00 -3.08 0.00 0.00 56.30 52.54 3mv9 h ASN 194 Cb 1.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.46 3mv9 h ASN 194 CO 0.63 0.84 0.00 -0.90 -2.08 0.00 0.00 177.43 175.92 3mv9 n ASP 195 N -4.63 0.15 -4.71 6.14 3.85 -1.26 -4.76 116.55 111.34 3mv9 n ASP 195 Ca -0.10 -0.33 -0.43 0.00 -0.71 0.00 0.00 54.79 53.22 3mv9 n ASP 195 Cb 0.29 -0.07 -0.03 0.00 -1.35 0.00 0.00 41.12 39.95 3mv9 n ASP 195 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 3mv9 n SER 196 N 0.30 3.73 -4.46 -1.12 2.88 -1.25 -4.98 113.62 108.74 3mv9 n SER 196 Ca 0.00 1.07 -0.28 0.00 -1.33 0.00 0.00 58.87 58.33 3mv9 n SER 196 Cb 0.04 -1.54 0.24 0.00 -0.75 0.00 0.00 64.21 62.20 3mv9 n SER 196 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mv9 s ARG 197 N 0.95 -0.78 0.21 -1.46 0.52 -1.26 -4.78 118.95 112.34 3mv9 s ARG 197 Ca 0.75 0.63 0.09 0.00 -0.52 0.00 0.00 55.73 56.68 3mv9 s ARG 197 Cb -0.55 -1.59 -0.05 0.00 0.52 0.00 0.00 34.95 33.29 3mv9 s ARG 197 CO 0.35 -3.57 -0.17 0.71 0.02 0.00 0.00 175.30 172.64 3mv9 s TYR 198 N -2.62 1.87 0.07 -0.53 2.02 -0.73 -0.78 117.35 116.65 3mv9 s TYR 198 Ca 0.68 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 3mv9 s TYR 198 Cb -0.22 -0.87 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3mv9 s TYR 198 CO 0.62 0.43 -0.10 0.00 -1.57 0.00 0.00 175.55 174.93 3mv9 s ALA 199 N -2.59 0.88 -0.05 3.71 0.00 0.81 -1.70 121.76 122.82 3mv9 s ALA 199 Ca 0.22 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 3mv9 s ALA 199 Cb -0.03 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3mv9 s ALA 199 CO 0.08 0.01 0.12 -1.17 0.00 0.00 0.00 175.76 174.80 3mv9 s LEU 200 N -1.93 1.38 0.15 0.00 2.96 0.22 -1.48 118.68 119.98 3mv9 s LEU 200 Ca -0.03 0.25 0.10 0.00 -0.22 0.00 0.00 54.13 54.22 3mv9 s LEU 200 Cb -0.07 0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.97 3mv9 s LEU 200 CO 0.00 -0.06 -0.22 -0.94 -1.32 0.00 0.00 176.35 173.81 3mv9 s SER 201 N 0.30 2.97 -0.10 3.68 1.04 -1.26 -0.07 113.70 120.25 3mv9 s SER 201 Ca -0.02 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 55.54 3mv9 s SER 201 Cb -0.03 -0.19 0.04 0.00 0.10 0.00 0.00 66.02 65.93 3mv9 s SER 201 CO -0.01 0.07 0.26 -0.55 0.98 0.00 0.00 173.24 173.99 3mv9 s SER 202 N -2.36 -0.28 -0.19 7.02 0.15 -0.66 -1.76 113.70 115.63 3mv9 s SER 202 Ca 0.14 0.54 -0.08 0.00 0.70 0.00 0.00 55.95 57.25 3mv9 s SER 202 Cb -0.08 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 3mv9 s SER 202 CO 0.07 -0.13 0.08 -0.13 1.20 0.00 0.00 173.24 174.33 3mv9 s ARG 203 N 0.71 4.04 -0.20 5.44 0.52 0.17 -0.35 118.95 129.28 3mv9 s ARG 203 Ca -0.05 -0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 3mv9 s ARG 203 Cb -0.06 -3.28 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 3mv9 s ARG 203 CO -0.04 0.29 -0.07 -1.17 0.02 0.00 0.00 175.30 174.32 3mv9 s LEU 204 N 0.35 2.80 -0.11 2.53 2.96 -0.73 -0.82 118.68 125.65 3mv9 s LEU 204 Ca 0.05 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3mv9 s LEU 204 Cb -0.12 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3mv9 s LEU 204 CO -0.01 0.02 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.34 3mv9 s ARG 205 N 1.26 3.19 0.20 1.98 3.52 0.22 0.62 118.95 129.94 3mv9 s ARG 205 Ca 0.03 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 3mv9 s ARG 205 Cb -0.14 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.56 3mv9 s ARG 205 CO -0.03 0.37 0.07 0.14 -0.81 0.00 0.00 175.30 175.04 3mv9 s VAL 206 N -0.03 0.41 0.54 7.11 -7.23 0.84 -4.65 120.40 117.39 3mv9 s VAL 206 Ca -0.02 -1.98 -0.21 0.00 -1.81 0.00 0.00 61.98 57.96 3mv9 s VAL 206 Cb -0.14 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 3mv9 s VAL 206 CO 0.03 -0.20 1.30 -0.94 -0.31 0.00 0.00 175.10 174.98 3mv9 s SER 207 N -3.20 5.39 0.20 4.85 1.04 -1.26 0.70 113.70 121.41 3mv9 s SER 207 Ca 0.32 2.63 -0.13 0.00 0.48 0.00 0.00 55.95 59.25 3mv9 s SER 207 Cb 0.07 -2.62 0.24 0.00 0.10 0.00 0.00 66.02 63.81 3mv9 s SER 207 CO 0.09 -1.48 1.65 0.00 0.98 0.00 0.00 173.24 174.48 3mv9 h ALA 208 N 1.45 0.48 -0.42 5.32 0.00 -1.72 -0.87 119.26 123.50 3mv9 h ALA 208 Ca -0.51 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3mv9 h ALA 208 Cb 1.29 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 3mv9 h ALA 208 CO 0.57 -0.42 0.11 0.00 0.00 0.00 0.00 179.25 179.51 3mv9 h THR 209 N 0.05 1.19 0.23 0.00 1.03 -1.90 0.23 112.91 113.73 3mv9 h THR 209 Ca 0.29 -0.65 -0.01 0.00 -0.01 0.00 0.00 66.41 66.03 3mv9 h THR 209 Cb 0.47 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 3mv9 h THR 209 CO -0.56 0.24 -0.11 0.15 -0.01 0.00 0.00 175.52 175.23 3mv9 h PHE 210 N 0.61 -0.28 0.00 0.00 3.04 -1.56 -2.17 116.94 116.57 3mv9 h PHE 210 Ca 0.14 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 3mv9 h PHE 210 Cb 0.22 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 3mv9 h PHE 210 CO 0.01 -0.12 -0.07 2.35 -2.02 0.00 0.00 178.31 178.46 3mv9 h TRP 211 N -0.38 0.00 -0.05 0.41 2.91 -0.79 -2.16 115.95 115.88 3mv9 h TRP 211 Ca -0.03 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.99 3mv9 h TRP 211 Cb 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 3mv9 h TRP 211 CO -0.04 0.07 0.00 1.04 -1.03 0.00 0.00 178.44 178.48 3mv9 n GLN 212 N -3.59 1.17 -3.55 2.65 6.02 0.76 -2.12 117.38 118.71 3mv9 n GLN 212 Ca -0.02 -0.25 -0.41 0.00 -0.01 0.00 0.00 57.00 56.30 3mv9 n GLN 212 Cb 0.18 -1.25 -0.10 0.00 1.02 0.00 0.00 30.24 30.10 3mv9 n GLN 212 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3mv9 s ASN 213 N -1.43 5.77 0.63 1.08 3.04 -0.82 -3.64 114.94 119.58 3mv9 s ASN 213 Ca 0.23 -1.36 0.40 0.00 0.04 0.00 0.00 52.86 52.17 3mv9 s ASN 213 Cb 0.11 -2.04 2.15 0.00 -1.54 0.00 0.00 41.25 39.93 3mv9 s ASN 213 CO 0.18 -0.53 2.29 -0.65 -3.04 0.00 0.00 177.10 175.34 3mv9 h PRO 214 N 8.49 0.00 0.00 0.43 0.11 -1.83 -0.20 132.00 139.00 3mv9 h PRO 214 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3mv9 h PRO 214 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3mv9 h PRO 214 CO 0.77 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 179.11 3mv9 n ARG 215 N -3.23 0.30 -2.84 1.05 1.74 -1.26 -4.28 116.66 108.14 3mv9 n ARG 215 Ca -0.02 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 3mv9 n ARG 215 Cb 0.11 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 3mv9 n ARG 215 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3mv9 s ASN 216 N -2.65 6.97 -0.13 0.55 0.02 -0.09 -5.01 114.94 114.61 3mv9 s ASN 216 Ca 0.22 1.20 -0.04 0.00 -1.02 0.00 0.00 52.86 53.22 3mv9 s ASN 216 Cb 0.17 -2.47 -0.03 0.00 0.02 0.00 0.00 41.25 38.94 3mv9 s ASN 216 CO 0.41 -0.47 0.02 -2.28 0.02 0.00 0.00 177.10 174.80 3mv9 s HIS 217 N 2.45 3.19 -0.13 2.20 5.65 -1.26 -1.55 115.29 125.85 3mv9 s HIS 217 Ca 0.39 0.08 0.01 0.00 0.25 0.00 0.00 55.06 55.79 3mv9 s HIS 217 Cb -0.16 -1.92 0.02 0.00 -1.18 0.00 0.00 32.58 29.34 3mv9 s HIS 217 CO 0.11 0.29 -0.14 -0.06 -0.65 0.00 0.00 174.74 174.29 3mv9 s PHE 218 N -0.27 2.01 -0.07 3.88 0.40 0.09 -1.44 117.98 122.58 3mv9 s PHE 218 Ca 0.07 -1.03 0.01 0.00 -0.60 0.00 0.00 56.93 55.38 3mv9 s PHE 218 Cb -0.12 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 41.95 3mv9 s PHE 218 CO 0.02 -0.56 -0.10 0.50 0.70 0.00 0.00 175.22 175.78 3mv9 s ARG 219 N 1.25 1.48 -0.37 0.44 3.52 -0.80 -0.05 118.95 124.42 3mv9 s ARG 219 Ca -0.01 -0.32 -0.17 0.00 -0.13 0.00 0.00 55.73 55.11 3mv9 s ARG 219 Cb -0.14 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.94 3mv9 s ARG 219 CO -0.06 -0.05 0.44 0.00 -0.81 0.00 0.00 175.30 174.82 3mv9 s GLN 221 N 2.19 4.11 -0.22 0.00 0.74 0.21 -2.38 119.66 124.31 3mv9 s GLN 221 Ca 0.14 -0.21 -0.01 0.00 0.05 0.00 0.00 55.36 55.34 3mv9 s GLN 221 Cb -0.16 -3.39 0.06 0.00 1.10 0.00 0.00 33.01 30.61 3mv9 s GLN 221 CO 0.13 0.35 -0.02 0.08 -0.55 0.00 0.00 175.29 175.28 3mv9 s VAL 222 N 0.20 1.13 -0.14 1.34 1.01 -0.33 0.85 120.40 124.47 3mv9 s VAL 222 Ca 0.09 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 3mv9 s VAL 222 Cb -0.11 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3mv9 s VAL 222 CO -0.01 -0.14 0.61 -1.58 0.00 0.00 0.00 175.10 173.98 3mv9 s GLN 223 N 1.58 4.31 -0.15 2.72 2.00 -0.77 -1.16 119.66 128.18 3mv9 s GLN 223 Ca -0.04 0.66 -0.06 0.00 -2.00 0.00 0.00 55.36 53.92 3mv9 s GLN 223 Cb -0.18 -3.50 -0.04 0.00 0.80 0.00 0.00 33.01 30.09 3mv9 s GLN 223 CO -0.07 -0.05 0.07 0.12 -0.50 0.00 0.00 175.29 174.86 3mv9 s PHE 224 N 1.25 3.31 -0.33 1.67 5.36 0.92 -2.83 117.98 127.33 3mv9 s PHE 224 Ca 0.31 0.20 -0.09 0.00 -0.96 0.00 0.00 56.93 56.39 3mv9 s PHE 224 Cb -0.16 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.53 3mv9 s PHE 224 CO 0.13 0.34 0.14 0.71 -1.46 0.00 0.00 175.22 175.08 3mv9 s TYR 225 N -0.13 3.21 0.00 10.12 1.51 -1.01 -1.71 117.35 129.34 3mv9 s TYR 225 Ca 0.07 -0.99 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 3mv9 s TYR 225 Cb -0.12 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.39 3mv9 s TYR 225 CO 0.01 -0.61 0.00 0.41 -1.11 0.00 0.00 175.55 174.25 3mv9 n GLY 226 N 4.92 5.45 3.71 0.71 0.00 -1.26 -4.76 105.19 113.96 3mv9 n GLY 226 Ca -0.13 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 3mv9 n GLY 226 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mv9 n LEU 227 N 0.00 5.60 -4.45 0.99 4.32 -0.01 -4.26 117.00 119.20 3mv9 n LEU 227 Ca 0.00 0.85 -0.41 0.00 -0.02 0.00 0.00 56.01 56.43 3mv9 n LEU 227 Cb 0.00 -1.54 -0.11 0.00 -1.62 0.00 0.00 43.42 40.16 3mv9 n LEU 227 CO 0.00 -1.05 -0.13 -0.44 -1.22 0.00 0.00 177.39 174.55 3mv9 s SER 228 N -1.27 5.90 0.00 -1.43 0.01 -1.26 -2.82 113.70 112.83 3mv9 s SER 228 Ca 0.80 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 57.30 3mv9 s SER 228 Cb -0.39 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3mv9 s SER 228 CO 0.43 -0.34 0.00 -0.62 0.41 0.00 0.00 173.24 173.12 3mv9 n GLU 229 N 5.07 0.00 -3.07 12.44 4.71 -1.26 -2.81 120.64 135.73 3mv9 n GLU 229 Ca -0.12 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.58 3mv9 n GLU 229 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.87 3mv9 n GLU 229 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 3mv9 s ASN 230 N -2.19 6.33 0.01 1.62 0.01 -1.26 -5.00 114.94 114.45 3mv9 s ASN 230 Ca 0.00 -1.63 -0.16 0.00 -0.71 0.00 0.00 52.86 50.37 3mv9 s ASN 230 Cb 0.00 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.36 3mv9 s ASN 230 CO 0.00 -1.09 0.33 -1.81 -1.51 0.00 0.00 177.10 173.02 3mv9 s ASP 231 N 3.48 -0.20 -0.42 -1.22 1.01 -1.12 -5.12 116.67 113.08 3mv9 s ASP 231 Ca 0.17 0.03 -0.29 0.00 0.71 0.00 0.00 52.55 53.17 3mv9 s ASP 231 Cb -0.18 0.35 0.02 0.00 1.01 0.00 0.00 42.92 44.12 3mv9 s ASP 231 CO 0.02 -0.52 1.14 -1.61 0.21 0.00 0.00 175.17 174.40 3mv9 s GLU 232 N -1.78 3.84 -0.33 8.23 2.02 -1.26 -4.99 118.70 124.43 3mv9 s GLU 232 Ca -0.10 0.78 -0.01 0.00 0.02 0.00 0.00 54.97 55.65 3mv9 s GLU 232 Cb -0.03 -3.85 0.07 0.00 0.10 0.00 0.00 34.13 30.41 3mv9 s GLU 232 CO 0.02 -1.22 0.05 -0.46 0.02 0.00 0.00 175.26 173.67 3mv9 s TRP 233 N 4.23 3.40 -0.23 1.61 -0.11 -1.26 -4.95 118.94 121.63 3mv9 s TRP 233 Ca 0.48 -2.15 0.12 0.00 1.22 0.00 0.00 56.10 55.77 3mv9 s TRP 233 Cb -0.09 -2.48 0.44 0.00 -1.50 0.00 0.00 33.47 29.83 3mv9 s TRP 233 CO 0.26 -0.87 1.31 0.25 -4.62 0.00 0.00 176.95 173.28 3mv9 n THR 234 N 4.57 2.29 -3.93 5.86 -2.24 -1.26 -5.01 114.28 114.56 3mv9 n THR 234 Ca -0.09 -2.89 -0.31 0.00 -2.27 0.00 0.00 64.05 58.50 3mv9 n THR 234 Cb 0.43 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 3mv9 n THR 234 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mv9 s GLN 235 N -3.18 3.38 0.01 -0.78 2.00 -1.26 -5.04 119.66 114.79 3mv9 s GLN 235 Ca 0.40 -0.47 -0.01 0.00 -2.00 0.00 0.00 55.36 53.28 3mv9 s GLN 235 Cb 0.37 -3.01 -0.00 0.00 0.80 0.00 0.00 33.01 31.17 3mv9 s GLN 235 CO -0.03 0.61 0.92 -0.25 -0.50 0.00 0.00 175.29 176.03 3mv9 n ASP 236 N 0.30 -0.04 -4.52 6.67 8.00 -1.26 -4.73 116.55 120.97 3mv9 n ASP 236 Ca -0.05 0.92 -0.29 0.00 0.71 0.00 0.00 54.79 56.08 3mv9 n ASP 236 Cb 0.51 -0.44 0.24 0.00 -0.02 0.00 0.00 41.12 41.41 3mv9 n ASP 236 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mv9 s ARG 237 N -3.10 -0.64 1.05 -1.24 1.70 -1.26 -4.99 118.95 110.48 3mv9 s ARG 237 Ca -0.00 0.98 -0.11 0.00 -0.47 0.00 0.00 55.73 56.12 3mv9 s ARG 237 Cb 0.00 -1.58 0.22 0.00 -0.57 0.00 0.00 34.95 33.03 3mv9 s ARG 237 CO 0.02 -3.57 1.08 0.00 -1.08 0.00 0.00 175.30 171.75 3mv9 s ALA 238 N -2.48 0.40 -0.20 7.88 0.00 -1.26 -4.94 121.76 121.16 3mv9 s ALA 238 Ca 0.68 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 3mv9 s ALA 238 Cb -0.25 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3mv9 s ALA 238 CO 0.64 -3.38 0.65 0.21 0.00 0.00 0.00 175.76 173.88 3mv9 s LYS 239 N -4.53 4.21 -0.20 0.00 2.20 -1.26 -4.96 119.74 115.21 3mv9 s LYS 239 Ca 0.68 0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 56.92 3mv9 s LYS 239 Cb -0.24 -3.58 -0.08 0.00 -1.51 0.00 0.00 37.83 32.42 3mv9 s LYS 239 CO 0.62 -0.26 1.69 -2.30 -0.36 0.00 0.00 175.35 174.73 3mv9 n PRO 240 N 5.11 0.95 -1.46 4.03 -0.02 -1.26 -4.93 135.00 137.43 3mv9 n PRO 240 Ca -0.01 -0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 60.55 3mv9 n PRO 240 Cb 0.50 -1.88 0.08 0.00 -0.02 0.00 0.00 33.50 32.17 3mv9 n PRO 240 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3mv9 s VAL 241 N 2.80 3.51 0.17 -1.45 -7.23 -1.26 -0.83 120.40 116.10 3mv9 s VAL 241 Ca 0.25 0.49 -0.33 0.00 -1.81 0.00 0.00 61.98 60.58 3mv9 s VAL 241 Cb 0.10 -3.15 -0.14 0.00 0.56 0.00 0.00 36.38 33.75 3mv9 s VAL 241 CO -0.01 -0.64 1.47 0.41 -0.31 0.00 0.00 175.10 176.03 3mv9 n THR 242 N -3.37 0.32 -3.47 5.32 -1.04 -1.13 -4.47 114.28 106.44 3mv9 n THR 242 Ca 0.08 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3mv9 n THR 242 Cb 0.54 -1.39 -0.02 0.00 -1.82 0.00 0.00 70.33 67.64 3mv9 n THR 242 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mv9 s GLN 243 N 0.40 1.01 0.00 -2.82 -2.07 -0.69 -4.90 119.66 110.59 3mv9 s GLN 243 Ca 0.76 -0.31 -0.11 0.00 -1.82 0.00 0.00 55.36 53.87 3mv9 s GLN 243 Cb -0.72 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 31.62 3mv9 s GLN 243 CO 0.43 -0.43 0.35 0.96 -1.32 0.00 0.00 175.29 175.28 3mv9 s ILE 244 N -3.16 5.15 -0.06 3.63 -4.36 -1.26 -0.05 121.20 121.08 3mv9 s ILE 244 Ca 0.02 0.56 0.05 0.00 -0.26 0.00 0.00 60.65 61.02 3mv9 s ILE 244 Cb -0.01 -3.63 -0.00 0.00 1.25 0.00 0.00 42.46 40.07 3mv9 s ILE 244 CO -0.09 0.48 -0.21 -0.69 0.24 0.00 0.00 174.94 174.68 3mv9 s VAL 245 N -1.18 1.73 0.05 8.37 1.01 -0.31 -4.96 120.40 125.10 3mv9 s VAL 245 Ca 0.25 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3mv9 s VAL 245 Cb -0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3mv9 s VAL 245 CO 0.14 0.49 -0.13 -0.44 0.00 0.00 0.00 175.10 175.15 3mv9 s SER 246 N 0.11 1.54 0.02 3.32 0.01 -1.26 -1.18 113.70 116.25 3mv9 s SER 246 Ca -0.08 -0.54 0.06 0.00 1.31 0.00 0.00 55.95 56.70 3mv9 s SER 246 Cb -0.14 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 3mv9 s SER 246 CO 0.04 -0.05 -0.18 0.00 0.41 0.00 0.00 173.24 173.47 3mv9 s ALA 247 N -1.10 1.47 0.10 1.44 0.00 -1.00 -4.78 121.76 117.90 3mv9 s ALA 247 Ca -0.02 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3mv9 s ALA 247 Cb -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3mv9 s ALA 247 CO 0.02 0.33 -0.03 -1.83 0.00 0.00 0.00 175.76 174.25 3mv9 s GLU 248 N -0.84 0.84 -0.06 0.00 -1.05 -1.26 -0.57 118.70 115.76 3mv9 s GLU 248 Ca 0.06 -1.36 -0.30 0.00 -0.15 0.00 0.00 54.97 53.22 3mv9 s GLU 248 Cb -0.08 -0.05 0.07 0.00 -0.44 0.00 0.00 34.13 33.64 3mv9 s GLU 248 CO 0.01 -0.10 0.66 0.00 0.95 0.00 0.00 175.26 176.78 3mv9 s ALA 249 N -3.77 -1.72 0.09 -0.84 0.00 0.93 -4.86 121.76 111.59 3mv9 s ALA 249 Ca 0.15 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.43 3mv9 s ALA 249 Cb 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3mv9 s ALA 249 CO -0.04 -0.36 0.21 -1.58 0.00 0.00 0.00 175.76 173.99 3mv9 s TRP 250 N -1.11 3.45 0.21 0.00 0.52 -1.26 -0.73 118.94 120.01 3mv9 s TRP 250 Ca -0.10 0.18 -0.32 0.00 0.02 0.00 0.00 56.10 55.87 3mv9 s TRP 250 Cb -0.01 -1.70 -0.13 0.00 -1.15 0.00 0.00 33.47 30.48 3mv9 s TRP 250 CO 0.09 0.56 1.57 0.41 0.02 0.00 0.00 176.95 179.60 3mv9 n GLY 251 N 0.06 1.15 3.58 0.98 0.00 -0.59 -4.96 105.19 105.39 3mv9 n GLY 251 Ca -0.06 0.58 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 3mv9 n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mv9 s ARG 252 N 0.41 3.71 0.26 1.61 3.00 -0.90 -3.63 118.95 123.40 3mv9 s ARG 252 Ca 0.73 0.16 0.25 0.00 0.00 0.00 0.00 55.73 56.87 3mv9 s ARG 252 Cb -0.61 -3.81 0.89 0.00 0.00 0.00 0.00 34.95 31.42 3mv9 s ARG 252 CO 0.41 -0.78 1.75 0.00 0.00 0.00 0.00 175.30 176.69 3mv9 h ALA 253 N 8.46 1.00 0.00 2.13 0.00 -1.77 -3.35 119.26 125.73 3mv9 h ALA 253 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3mv9 h ALA 253 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3mv9 h ALA 253 CO 0.86 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.64